| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 25th, 2008 | 23 | Yes |
Popular Name: 1-[2-[4-[(4-methoxyphenyl)methyl]phenoxy]ethyl]pyrrolidine 1-[2-[4-[(4-methoxyphenyl)methyl…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 4.45 | 11.03 | -36.09 | 1 | 3 | 1 | 23 | 312.433 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LKHA4-2-E | Leukotriene A4 Hydrolase (cluster #2 Of 2), Eukaryotic | Eukaryotes | 70 | 0.44 | Binding ≤ 10μM |
| LKHA4-1-E | Leukotriene A4 Hydrolase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 890 | 0.37 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LKHA4_HUMAN | P09960 | Leukotriene A4 Hydrolase, Human | 70 | 0.44 | Binding ≤ 1μM |
| LKHA4_HUMAN | P09960 | Leukotriene A4 Hydrolase, Human | 70 | 0.44 | Binding ≤ 10μM |
| LKHA4_HUMAN | P09960 | Leukotriene A4 Hydrolase, Human | 890 | 0.37 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Synthesis of Leukotrienes (LT) and Eoxins (EX) |
